Basic information
- Name:
Bicyclo[4.2.0]octa-1,3,5-triene-7-methanamine,3,4-dimethoxy-N-methyl-, hydrochloride (1:1), (7S)-
- Superlist Name:
- (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride
- CAS No.:
866783-13-3
- Molecular Structure:
![Molecular Structure of 866783-13-3 (Bicyclo[4.2.0]octa-1,3,5-triene-7-methanamine,3,4-dimethoxy-N-methyl-, hydrochloride (1:1), (7S)-)](http://www.lookchem.com/300w/2010/0624/866783-13-3.jpg)
- Formula:
- C12H18ClNO2
- Molecular Weight:
- 243.73
- Synonyms:
- Bicyclo[4.2.0]octa-1,3,5-triene-7-methanamine,3,4-dimethoxy-N-methyl-, hydrochloride, (7S)- (9CI);(1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride;(S)-N-[（4,5-dimethoxybenzocyclobut-1-yl）methyl ]-N-methylamine hydrochloride;
- Boiling Point:
- 338.6 °C at 760 mmHg
- Flash Point:
- 158.6 °C
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Chemistry
Molecular Structure of Bicyclo[4.2.0]octa-1,3,5-triene-7-methanamine,3,4-dimethoxy-N-methyl-, hydrochloride (1:1), (7S)- (CAS NO.866783-13-3):
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Systematic Name: 1-[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N-methylmethanamine hydrochloride
Empirical Formula: C12H18ClNO2
Molecular Weight: 243.7298
Nominal Mass: 243
Average Mass: 243.7298
Monoisotopic Mass: 243.102607
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 4
Flash Point: 158.6 °C
Enthalpy of Vaporization: 59.35 kJ/mol
Boiling Point: 338.6 °C at 760 mmHg
Vapour Pressure: 6.95E-05 mmHg at 25 °C
SMILES: Cl.O(c1cc2c(cc1OC)[C@@H](CNC)C2)C
InChI: InChI=1/C12H17NO2.ClH/c1-13-7-9-4-8-5-11(14-2)12(15-3)6-10(8)9;/h5-6,9,13H,4,7H2,1-3H3;1H/t9-;/m1./s1
InChIKey: SWSAIQSQSDOONK-SBSPUUFOBL
Specification
Bicyclo[4.2.0]octa-1,3,5-triene-7-methanamine,3,4-dimethoxy-N-methyl-, hydrochloride (1:1), (7S)- (CAS NO.866783-13-3), its Synonyms are (7S)-3,4-Dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-methanamine hydrochloride ; (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride .